5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C17H14ClN3O3 — CID 3244358

IUPAC5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nn1c(C)nc2ccccc2c1=O
InChIInChI=1S/C17H14ClN3O3/c1-10-19-14-6-4-3-5-12(14)17(23)21(10)20-16(22)13-9-11(18)7-8-15(13)24-2/h3-9H,1-2H3,(H,20,22)
InChIKeyXCXDCKKJYBATIM-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.75
Rot. Bonds3

About 5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide

5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 3244358) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID3244358
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC Name5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nn1c(C)nc2ccccc2c1=O
InChIInChI=1S/C17H14ClN3O3/c1-10-19-14-6-4-3-5-12(14)17(23)21(10)20-16(22)13-9-11(18)7-8-15(13)24-2/h3-9H,1-2H3,(H,20,22)
InChIKeyXCXDCKKJYBATIM-UHFFFAOYSA-N
XLogP2.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 3244358) is 5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide is COc1ccc(Cl)cc1C(=O)Nn1c(C)nc2ccccc2c1=O.
What is the InChIKey of 5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is XCXDCKKJYBATIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-10-19-14-6-4-3-5-12(14)17(23)21(10)20-16(22)13-9-11(18)7-8-15(13)24-2/h3-9H,1-2H3,(H,20,22).
What are the key properties of 5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 343.77 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 3244358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).